SCHEMBL1802880

SCHEMBL1802880

Cc1nc(-c2cn(C3C=CCCC3)c3ncccc23)cs1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 6/20 0.39
CCNB1 P14635 6/20 0.39
GSK3B P49841 2/20 0.39
CCNB2 O95067 4/20 0.37
CCNB3 Q8WWL7 4/20 0.37
PDE4A P27815 1/20 0.34
DYRK1A Q13627 2/20 0.33
TYK2 P29597 5/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
SLC2A1 P11166 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1799236 0.87 CDK1 (0.36) CDK1CCNB1GSK3BCCNB2CCNB3
SCHEMBL1799952 0.79 SLC2A1 (0.33) CDK1CCNB1GSK3BCCNB2CCNB3
SCHEMBL1801781 0.69 PTGDR2 (0.39) PDE4ARAB9A
SCHEMBL1796421 0.69 SLC2A1 (0.43) SLC2A1
SCHEMBL1801778 0.66 BRD4 (0.44) CDK1CCNB1CCNB2CCNB3RAB9A
SCHEMBL1802877 0.63 ROCK1 (0.46) NPC1RAB9ASMN1; SMN2
SCHEMBL1723806 0.61 PARP1 (0.40) SLC2A1
SCHEMBL2752494 0.60 BRD4 (0.42) TYK2
SCHEMBL1150164 0.60 SLC2A1 (0.47) SLC2A1
SCHEMBL19626505 0.60 GRM5 (0.52) ADRA1AADRA1BNPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951802-B2 Use of 7-azaindoles in the inhibition of c-Jun N-terminal kinase EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-05-31 US disclosed
US-20100069358-A1 USE OF 7-AZAINDOLES IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-18 US disclosed
EP-2125801-A1 THE USE OF 7-AZAINDOLES IN THE INHIBITION OF C-JUN N-TERMINAL KINASE Eisai R&D Management Co., Ltd. (JP) 2009-12-02 EP disclosed
WO-2008095943-A1 THE USE OF 7-AZAINDOLES IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO. LTD. (JP) 2008-08-14 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100069358-A1 USE OF 7-AZAINDOLES IN THE INHIBITION OF C-JUN N-TERMINAL KINASE MAPK7, MAPKAPK5, MAPK13 CDK1 674/4885CCNB1 2283/4885GSK3B 418/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.